1-[(3-chlorophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-chlorobenzyl)-4-(3-ethoxy-4-methoxy-benzyl)piperazin-1-ium Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C21H27ClN2O2/c1-3-26-21-14-18(7-8-20(21)25-2)16-24-11-9-23(10-12-24)15-17-5-4-6-19(22)13-17/h4-8,13-14H,3,9-12,15-16H2,1-2H3/p+1